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    Sb17504

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    2D Structure
    Also known as: 125602-71-3, Betotastine, 190786-43-7, (s)-4-(4-((4-chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoic acid, Tau 284, Hyd2u48ias
    Molecular Formula
    C21H25ClN2O3
    Molecular Weight
    388.9  g/mol
    InChI Key
    YWGDOWXRIALTES-NRFANRHFSA-N
    FDA UNII
    HYD2U48IAS
    Bepotastine is a Histamine-1 Receptor Antagonist.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid
    2.1.2 InChI
    InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1
    2.1.3 InChI Key
    YWGDOWXRIALTES-NRFANRHFSA-N
    2.1.4 Canonical SMILES
    C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O
    2.1.5 Isomeric SMILES
    C1CN(CCC1O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    HYD2U48IAS
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (s)-4-(4-((4-chlorophenyl)(2-pyridil)methoxy)piperidino)butylic Acid Monobenzenesulfonate

    2. Betotastine

    3. Betotastine Besilate

    4. Tau 284

    5. Tau-284

    2.3.2 Depositor-Supplied Synonyms

    1. 125602-71-3

    2. Betotastine

    3. 190786-43-7

    4. (s)-4-(4-((4-chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoic Acid

    5. Tau 284

    6. Hyd2u48ias

    7. 4-((4-chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid

    8. 1-piperidinebutanoicacid, 4-[(s)-(4-chlorophenyl)-2-pyridinylmethoxy]-

    9. 4-[4-[(s)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic Acid

    10. (+)-(s)-4-[4-[1-(4-chlorophenyl)-1-(2-pyridyl)methoxy]piperidin-1-yl]butyric Acid

    11. Chebi:71204

    12. 1-piperidinebutanoic Acid, 4-[(s)-(4-chlorophenyl)-2-pyridinylmethoxy]-

    13. (+)-4-(((s)-p-chloro-alpha-2-pyridylbenzyl)oxy)-1-piperidinebutyric Acid

    14. 4-[4-[(s)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-ium-1-yl]butanoate

    15. (s)-4-[4-[1-(4-chlorophenyl)-1-(2-pyridyl)methoxy]piperidin-1-yl]butyric Acid

    16. Bepotastine [inn]

    17. Unii-hyd2u48ias

    18. Bepotastine [usan:inn]

    19. Bepotastina

    20. Bepotastinum

    21. Bepotastine [mi]

    22. Bepotastine (usan/inn)

    23. (s)-4-(4-((4-chlorophenyl)(2-pyridil)methoxy)piperidino)butylic Acid

    24. Bepotastine [usan]

    25. Bepotastine [vandf]

    26. Bepotastine [mart.]

    27. Schembl29459

    28. Bepotastine [who-dd]

    29. Gtpl7466

    30. Chembl1201758

    31. Dtxsid90904947

    32. Tqp0323

    33. Zinc602128

    34. Cs-m1828

    35. Cs-m1895

    36. Hy-i0021

    37. S5940

    38. Akos015913983

    39. Am84655

    40. Ncgc00386356-02

    41. Ncgc00386356-05

    42. Ac-26366

    43. As-72863

    44. D09705

    45. D72208

    46. Ab01565803_02

    47. J-519839

    48. Q4890915

    49. (s)-4-[4-[(4-chlorophenyl)(2-pyridyl)-methoxy]piperidino]butanoic Acid

    50. (s)-4-[4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidino]-butanoic Acid

    51. (s)-4-[4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidino]butanoic Acid

    52. 1-piperidinebutanoic Acid, 4-((4-chlorophenyl)-2-pyridinylmethoxy)-

    53. 1-piperidinebutyric Acid, (+)-4-(((s)-p-chloro-2-pyridylbenzyl)oxy)-

    54. (+)-4-(((s)-p-chloro-.alpha.-2-pyridylbenzyl)oxy)-1-piperidinebutyric Acid

    55. (s)-4-(4-((4-chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoicacid

    56. 4-((s)-(4-chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid

    57. 4-{4-[(s)-(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidin-1-yl}butanoic Acid

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 388.9 g/mol
    Molecular Formula C21H25ClN2O3
    XLogP31
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count8
    Exact Mass388.1553704 g/mol
    Monoisotopic Mass388.1553704 g/mol
    Topological Polar Surface Area62.7 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity449
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 FDA Pharmacological Classification
    4.1.1 Active Moiety
    BEPOTASTINE
    4.1.2 FDA UNII
    HYD2U48IAS
    4.1.3 Pharmacological Classes
    Established Pharmacologic Class [EPC] - Histamine-1 Receptor Antagonist